N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide

C17H17ClFNO2 — CID 129038589

IUPACN-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-3-17(21)20-15-6-4-5-13(18)12(15)10-22-16-8-7-11(2)9-14(16)19/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyYETWQCQIOVBNHN-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.72
Rot. Bonds5

About N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide

N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide (PubChem CID 129038589) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
PubChem CID129038589
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-3-17(21)20-15-6-4-5-13(18)12(15)10-22-16-8-7-11(2)9-14(16)19/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyYETWQCQIOVBNHN-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 129038628
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
CID 129038323
N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 159680715
S-methyl N-[3-chloro-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129054223
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
[3-fluoro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl] propanoate
CID 122645778
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
3-chloro-2-[(2,4-difluorophenoxy)methyl]-N-methylaniline;propanal
CID 144933012

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide (CID 129038589) is N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1F.
What is the InChIKey of N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide?
The InChIKey is YETWQCQIOVBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-3-17(21)20-15-6-4-5-13(18)12(15)10-22-16-8-7-11(2)9-14(16)19/h4-9H,3,10H2,1-2H3,(H,20,21).
What are the key properties of N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide?
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide has a molecular weight of 321.78 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 129038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).